Basic information
- Standard SMILES
CCOC(=O)C(Br)C(=O)c1ccc(Cl)cc1Cl- InChIKey
LSSRVDPIJBNNOU-UHFFFAOYSA-N- Molecular formula
- C11H9BrCl2O3
- Average molar mass
- 339.99 g/mol
- Monoisotopic mass
- 337.91121
Names & identifiers
- Preferred name
- Ethyl 2-bromo-3-(2,4-dichlorophenyl)-3-oxopropanoate
- IUPAC
- ethyl 2-bromo-3-(2,4-dichlorophenyl)-3-oxopropanoate
Names & synonyms
ethyl 2-bromo-3-(2,4-dichlorophenyl)-3-oxopropanoateSCHEMBL954293LSSRVDPIJBNNOU-UHFFFAOYSA-N1239506-28-5
Database identifiers
- PubChem CID
- 58094874
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 298
Related reactions
4 records
Compound notes
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